2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate
TL;DR: 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate (CAS 64047-48-9) is a chemical compound with molecular formula C7H10BrCl3O2 and molecular weight 309.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl 2-bromo-3-methylbutanoate
Also Known As: Trichloroethyl 2-bromoisovalerate, 2,2,2-trichloroethyl 2-bromo-3-methylbutanoate, 2-Bromoisovaleric acid, ester with trichloroethanol, 2,2,2-trichloroethyl2-bromo-3-methyl-butanoate, 2-Bromoisovaleric acid 2,2,2-trichloroethyl ester
| Molecular Formula | C7H10BrCl3O2 |
|---|---|
| Molecular Weight | 309.89 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.89297 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 64047-48-9 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC(Cl)(Cl)Cl)Br |
| InChIKey | QLWAWPABINQVLJ-UHFFFAOYSA-N |
Product Overview
2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate (CAS 64047-48-9), with molecular formula C7H10BrCl3O2 and molecular weight 309.89 g/mol. IUPAC: 2,2,2-trichloroethyl 2-bromo-3-methylbutanoate.
Chemical Property Profile of 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate
Property Insights of 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate
The XLogP value of 4.1 indicates that 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate?
The CAS number of 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate is 64047-48-9.
What is the molecular formula of 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate?
The molecular formula of 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate is C7H10BrCl3O2.
What is the molecular weight of 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate?
The molecular weight of 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate is 309.89 g/mol.
Where can I buy 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate?
You can request a quote for 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloroethyl 2-bromo-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.